4-tert-butyl-N-({N'-[(3Z)-5,7-dibromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

4-tert-butyl-N-({N'-[(3Z)-5,7-dibromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

Formula: C21H20Br2N4O3

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NN=C1/C(=O)NC2=C1C=C(Br)C=C2Br

IUPAC: 4-tert-butyl-N-({N'-[(3Z)-5,7-dibromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

InChI: InChI=1S/C21H20Br2N4O3/c1-21(2,3)12-6-4-11(5-7-12)19(29)24-10-16(28)26-27-18-14-8-13(22)9-15(23)17(14)25-20(18)30/h4-9H,10H2,1-3H3,(H,24,29)(H,26,28)(H,25,27,30)

Composition: C (47.04%), H (3.76%), Br (29.80%), N (10.45%), O (8.95%)

Molar Mass: 536.224

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	533.990217
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	YSRJCJAFNJSTMS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.78
Topological Polar Surface Area	99.66
Polarizability	45.57
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20Br2N4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00